data_global
_amcsd_formula_title 'BaCo2Si2O7'
loop_
_publ_author_name
'Adams R D'
'Layland R'
'Payen C'
'Datta T'
_journal_name_full 'Inorganic Chemistry'
_journal_volume 35 
_journal_year 1996
_journal_page_first 3492
_journal_page_last 3497
_publ_section_title
;
 Synthesis, structural analyses, and unusual magnetic properties of
 Ba2CoSi2O7 and BaCo2Si2O7
 Note: Compound 2
;
_database_code_amcsd 0019237
_chemical_compound_source 'Synthetic'
_chemical_formula_sum 'Ba Co2 Si2 O7'
_cell_length_a 7.2131
_cell_length_b 12.781
_cell_length_c 13.762
_cell_angle_alpha 90
_cell_angle_beta 90.299
_cell_angle_gamma 90
_cell_volume 1268.710
_exptl_crystal_density_diffrn      4.433
_symmetry_space_group_name_H-M 'C 1 2/c 1'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  'x,-y,1/2+z'
  '1/2+x,1/2-y,1/2+z'
  '-x,y,1/2-z'
  '1/2-x,1/2+y,1/2-z'
  '-x,-y,-z'
  '1/2-x,1/2-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Ba   0.19603   0.01940   0.12214   0.00722
Co1   0.50000   0.27175   0.25000   0.00735
Co2   0.50000  -0.26949   0.25000   0.00735
Co3   0.03207   0.23010   0.51050   0.00545
Si1   0.29080  -0.12326   0.36633   0.00469
Si2   0.32330   0.10557   0.38086   0.00443
O1   0.42790  -0.22180   0.38560   0.00887
O2   0.17030   0.11540   0.29630   0.01013
O3   0.24810   0.13470   0.48800   0.00760
O4   0.50380   0.18180   0.36700   0.00633
O5   0.41380  -0.01300   0.37820   0.00760
O6   0.22130  -0.13660   0.25430   0.01267
O7   0.12510  -0.11120   0.44390   0.00887